Geometry & MOs

Info

ID:	330354
PubChem CID:	127247341
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	5.4
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CC4=C(CCC4)NC3=O

DOS

IR

Vibrations